smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1cnnc1[C@H]1CCCN(CCN2C(=O)NC(C)(C)C2=O)C1	ZINC000161273541	436887909	/nfs/dbraw/zinc/88/79/09/436887909.db2.gz	XTZRCVDAKQOBRL-LBPRGKRZSA-N	0	1	334.424	0.808	10	70		ECIEMN
Cn1cc(S(=O)(=O)NCCN2CC[C@]3(O)CCCC[C@@H]3C2)cn1	ZINC000161010417	436884039	/nfs/dbraw/zinc/88/40/39/436884039.db2.gz	XKDQXDOMFDKCOK-UKRRQHHQSA-N	0	1	342.465	0.325	10	70		ECIEMN
O=C(c1cc(Cn2ccc(C(F)(F)F)n2)on1)N1CCNCC1	ZINC000159425997	436858741	/nfs/dbraw/zinc/85/87/41/436858741.db2.gz	KCFOLIIAEKKASN-UHFFFAOYSA-N	0	1	329.282	0.984	10	70		ECIEMN
O=C(N[C@@H]1CCc2ncnn2C1)N1CCC(CN2CCOCC2)CC1	ZINC000161219178	436885902	/nfs/dbraw/zinc/88/59/02/436885902.db2.gz	DKTYFGBXIRQFNG-OAHLLOKOSA-N	0	1	348.451	0.347	10	70		ECIEMN
C[C@@H](O)CN1CCN(C(=O)CCCNC(=O)c2cccnc2)C[C@@H]1C	ZINC000159757406	533671855	/nfs/dbraw/zinc/67/18/55/533671855.db2.gz	KKVDLFDHIAWKIR-LSDHHAIUSA-N	0	1	348.447	0.505	10	70		ECIEMN
COCCCS(=O)(=O)NCCN1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000161134637	436883604	/nfs/dbraw/zinc/88/36/04/436883604.db2.gz	WBUZOTAJZMRUKZ-CABCVRRESA-N	0	1	334.482	0.569	10	70		ECIEMN
O=C(N[C@H]1CCc2ncnn2C1)N1CCC(CN2CCOCC2)CC1	ZINC000161219311	436885363	/nfs/dbraw/zinc/88/53/63/436885363.db2.gz	DKTYFGBXIRQFNG-HNNXBMFYSA-N	0	1	348.451	0.347	10	70		ECIEMN
CN(C[C@H](O)CN1CCN(C)CC1)c1nc(C(C)(C)C)ns1	ZINC000159429871	436858321	/nfs/dbraw/zinc/85/83/21/436858321.db2.gz	ODHAWCXZVCYVAY-LBPRGKRZSA-N	0	1	327.498	0.880	10	70		ECIEMN
C[C@@H](O)CN1CCN(C(=O)CCCNC(=O)c2cccnc2)C[C@H]1C	ZINC000159757284	206262642	/nfs/dbraw/zinc/26/26/42/206262642.db2.gz	KKVDLFDHIAWKIR-HUUCEWRRSA-N	0	1	348.447	0.505	10	70		ECIEMN
CCOCCN1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)C[C@@H]1CC	ZINC000160429810	436872443	/nfs/dbraw/zinc/87/24/43/436872443.db2.gz	UUVQUPKTMQOWEO-AWEZNQCLSA-N	0	1	336.436	0.960	10	70		ECIEMN
CN(C[C@@H](O)CN1CCN(C)CC1)c1nc(C(C)(C)C)ns1	ZINC000159430003	436859020	/nfs/dbraw/zinc/85/90/20/436859020.db2.gz	ODHAWCXZVCYVAY-GFCCVEGCSA-N	0	1	327.498	0.880	10	70		ECIEMN
Cn1c2[nH]c(CN3CCC(c4ccn[nH]4)CC3)nc2c(=O)n(C)c1=O	ZINC000160552306	436875816	/nfs/dbraw/zinc/87/58/16/436875816.db2.gz	MQAQOHXFDCNTKE-UHFFFAOYSA-N	0	1	343.391	0.063	10	70		ECIEMN
COC(=O)Cn1cc(CCN2CCc3c(nc(C(C)C)n3C)C2)nn1	ZINC000160035536	533787097	/nfs/dbraw/zinc/78/70/97/533787097.db2.gz	PBOTUUQHWVMGFD-UHFFFAOYSA-N	0	1	346.435	0.909	10	70		ECIEMN
CC(C)[N@@H+]1C[C@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@@H](C)C1	ZINC000161154828	436886091	/nfs/dbraw/zinc/88/60/91/436886091.db2.gz	QTAJPPVTUORZOQ-CABZTGNLSA-N	0	1	331.376	0.070	10	70		ECIEMN
COCCCS(=O)(=O)NCCN1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000161134498	292374312	/nfs/dbraw/zinc/37/43/12/292374312.db2.gz	WBUZOTAJZMRUKZ-HUUCEWRRSA-N	0	1	334.482	0.569	10	70		ECIEMN
Cn1cc(S(=O)(=O)NCCN2CC[C@@]3(O)CCCC[C@@H]3C2)cn1	ZINC000161010551	436883619	/nfs/dbraw/zinc/88/36/19/436883619.db2.gz	XKDQXDOMFDKCOK-HIFRSBDPSA-N	0	1	342.465	0.325	10	70		ECIEMN
CCOCCN1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)C[C@H]1CC	ZINC000160429686	436872323	/nfs/dbraw/zinc/87/23/23/436872323.db2.gz	UUVQUPKTMQOWEO-CQSZACIVSA-N	0	1	336.436	0.960	10	70		ECIEMN
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000161154715	436886225	/nfs/dbraw/zinc/88/62/25/436886225.db2.gz	QTAJPPVTUORZOQ-SKDRFNHKSA-N	0	1	331.376	0.070	10	70		ECIEMN
CCn1cnnc1[C@@H]1CCCN(CCN2C(=O)NC(C)(C)C2=O)C1	ZINC000161273431	436887517	/nfs/dbraw/zinc/88/75/17/436887517.db2.gz	XTZRCVDAKQOBRL-GFCCVEGCSA-N	0	1	334.424	0.808	10	70		ECIEMN